3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylchromen-2-one

C21H19FN4O2 — CID 71621231

IUPAC3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylchromen-2-one
SMILESCc1cn2cc(-c3cc4ccc(N5CCNCC5)cc4oc3=O)cc(F)c2n1
InChIInChI=1S/C21H19FN4O2/c1-13-11-26-12-15(9-18(22)20(26)24-13)17-8-14-2-3-16(10-19(14)28-21(17)27)25-6-4-23-5-7-25/h2-3,8-12,23H,4-7H2,1H3
InChIKeyRJCMIBUBMSQWOZ-UHFFFAOYSA-N
MW378.41 g/mol
LogP2.96
Rot. Bonds2

About 3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylchromen-2-one

3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylchromen-2-one (PubChem CID 71621231) has the molecular formula C21H19FN4O2 and a molecular weight of 378.41 g/mol. Its IUPAC name is 3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylchromen-2-one.

Molecular Properties

Compound Name3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylchromen-2-one
PubChem CID71621231
Molecular FormulaC21H19FN4O2
Molecular Weight378.41 g/mol
Exact Mass378.15
IUPAC Name3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylchromen-2-one
SMILESCc1cn2cc(-c3cc4ccc(N5CCNCC5)cc4oc3=O)cc(F)c2n1
InChIInChI=1S/C21H19FN4O2/c1-13-11-26-12-15(9-18(22)20(26)24-13)17-8-14-2-3-16(10-19(14)28-21(17)27)25-6-4-23-5-7-25/h2-3,8-12,23H,4-7H2,1H3
InChIKeyRJCMIBUBMSQWOZ-UHFFFAOYSA-N
XLogP2.96
TPSA62.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylchromen-2-one?
The IUPAC name of 3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylchromen-2-one (CID 71621231) is 3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylchromen-2-one.
What is the SMILES notation for 3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylchromen-2-one?
The canonical SMILES for 3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylchromen-2-one is Cc1cn2cc(-c3cc4ccc(N5CCNCC5)cc4oc3=O)cc(F)c2n1.
What is the InChIKey of 3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylchromen-2-one?
The InChIKey is RJCMIBUBMSQWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2/c1-13-11-26-12-15(9-18(22)20(26)24-13)17-8-14-2-3-16(10-19(14)28-21(17)27)25-6-4-23-5-7-25/h2-3,8-12,23H,4-7H2,1H3.
What are the key properties of 3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylchromen-2-one?
3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylchromen-2-one has a molecular weight of 378.41 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylchromen-2-one is sourced from PubChem (CID 71621231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).